7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

C45H27N3 — CID 130326285

IUPAC7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(cncc6c4)-c4ccccc4-5)cc32)cc1
InChIInChI=1S/C45H27N3/c1-2-10-31(11-3-1)47-41-16-8-6-14-35(41)37-20-18-29(24-44(37)47)28-19-21-43-38(23-28)36-15-7-9-17-42(36)48(43)32-22-30-26-46-27-40-34-13-5-4-12-33(34)39(25-32)45(30)40/h1-27H
InChIKeyYZRXBBZFHYOODQ-UHFFFAOYSA-N
MW609.73 g/mol
LogP11.74
Rot. Bonds3

About 7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (PubChem CID 130326285) has the molecular formula C45H27N3 and a molecular weight of 609.73 g/mol. Its IUPAC name is 7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

Molecular Properties

Compound Name7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
PubChem CID130326285
Molecular FormulaC45H27N3
Molecular Weight609.73 g/mol
Exact Mass609.22
IUPAC Name7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(cncc6c4)-c4ccccc4-5)cc32)cc1
InChIInChI=1S/C45H27N3/c1-2-10-31(11-3-1)47-41-16-8-6-14-35(41)37-20-18-29(24-44(37)47)28-19-21-43-38(23-28)36-15-7-9-17-42(36)48(43)32-22-30-26-46-27-40-34-13-5-4-12-33(34)39(25-32)45(30)40/h1-27H
InChIKeyYZRXBBZFHYOODQ-UHFFFAOYSA-N
XLogP11.74
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.73
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130326274
8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130326284
7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130326265
11-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl)-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130326452
11-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130326227
3-(9-fluoranthen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130295225
2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole
CID 130295208
5-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-6-yl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 130326392
10-(9-fluoranthen-2-ylcarbazol-3-yl)-7-phenylbenzo[c]carbazole
CID 130294957
4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325890
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
5-(3,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-13-yl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 130326521

Frequently Asked Questions

What is the IUPAC name of 7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The IUPAC name of 7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (CID 130326285) is 7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.
What is the SMILES notation for 7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The canonical SMILES for 7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(cncc6c4)-c4ccccc4-5)cc32)cc1.
What is the InChIKey of 7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The InChIKey is YZRXBBZFHYOODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3/c1-2-10-31(11-3-1)47-41-16-8-6-14-35(41)37-20-18-29(24-44(37)47)28-19-21-43-38(23-28)36-15-7-9-17-42(36)48(43)32-22-30-26-46-27-40-34-13-5-4-12-33(34)39(25-32)45(30)40/h1-27H.
What are the key properties of 7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene has a molecular weight of 609.73 g/mol, XLogP of 11.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 130326285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).